[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2,5-dimethylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H15NO3 MolecularWeight: 245.2738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C14H15NO3/c1-4-7-15-13(16)9-18-14(17)12-8-10(2)5-6-11(12)3/h1,5-6,8H,7,9H2,2-3H3,(H,15,16)